6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one

C17H23N3O3S2 — CID 50842583

IUPAC6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one
SMILESCCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)sc1C
InChIInChI=1S/C17H23N3O3S2/c1-4-13-7-5-6-10-20(13)25(22,23)16-11-15(24-12(16)2)14-8-9-17(21)19(3)18-14/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyFFGXCLBPZKEHRE-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.77
Rot. Bonds4

About 6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one

6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one (PubChem CID 50842583) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one
PubChem CID50842583
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one
SMILESCCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)sc1C
InChIInChI=1S/C17H23N3O3S2/c1-4-13-7-5-6-10-20(13)25(22,23)16-11-15(24-12(16)2)14-8-9-17(21)19(3)18-14/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyFFGXCLBPZKEHRE-UHFFFAOYSA-N
XLogP2.77
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-(2-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43266325
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354
5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053526
2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine
CID 19682814
1-[(2S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574930
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
CID 66486193
3-methyl-5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 53079270
N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83046351
2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 43456226
[3-bromo-4-(2-ethylazepan-1-yl)sulfonylphenyl]methanol
CID 104692826
[5-bromo-4-(2-ethylazepan-1-yl)sulfonylfuran-2-yl]methanol
CID 104692787
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one (CID 50842583) is 6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one is CCC1CCCCN1S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)sc1C.
What is the InChIKey of 6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one?
The InChIKey is FFGXCLBPZKEHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-4-13-7-5-6-10-20(13)25(22,23)16-11-15(24-12(16)2)14-8-9-17(21)19(3)18-14/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of 6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one?
6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one has a molecular weight of 381.52 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-ethylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 50842583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).